HRID94395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID823934

4-Bromo-2-iodoaniline

C6H5BrIN

HCID44119555

(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid

C8H15BO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID59128571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4db08dbba17541809895a840fe989002
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([I:9])[c:5]([NH2:8])[cH:6][cH:7]1.[C:21](=[O:22])([O-:23])[O-:24].[CH3:10][C:11]1([CH3:20])[CH2:12][CH:13]=[C:14]([B:17]([OH:18])[OH:19])[CH2:15][CH2:16]1.[CH3:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[CH3:27][CH2:28][OH:29].[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[Na+:25].[Na+:26].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[Br:1][c:2]1[cH:3][c:4]([C:14]2=[CH:13][CH2:12][C:11]([CH3:10])([CH3:20])[CH2:16][CH2:15]2)[c:5]([NH2:8])[cH:6][cH:7]1